1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid

C10H20F2O6SSi — CID 153308388

IUPAC1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid
SMILESCO[Si](C)(C)CCC(C)C(=O)OCC(F)(F)S(=O)(=O)O
InChIInChI=1S/C10H20F2O6SSi/c1-8(5-6-20(3,4)17-2)9(13)18-7-10(11,12)19(14,15)16/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyYPVXQJRVCJAVTF-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.89
Rot. Bonds8

About 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid

1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid (PubChem CID 153308388) has the molecular formula C10H20F2O6SSi and a molecular weight of 334.41 g/mol. Its IUPAC name is 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid
PubChem CID153308388
Molecular FormulaC10H20F2O6SSi
Molecular Weight334.41 g/mol
Exact Mass334.07
IUPAC Name1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid
SMILESCO[Si](C)(C)CCC(C)C(=O)OCC(F)(F)S(=O)(=O)O
InChIInChI=1S/C10H20F2O6SSi/c1-8(5-6-20(3,4)17-2)9(13)18-7-10(11,12)19(14,15)16/h8H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyYPVXQJRVCJAVTF-UHFFFAOYSA-N
XLogP1.89
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylhexanoyloxy)-1,1-difluoroethanesulfonic acid
CID 159477294
1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid
CID 171753998
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970
2-(2-acetyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid
CID 129070607
disodium;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonic acid;sulfate
CID 172748865
1,1-difluoro-2-[(E)-pent-2-enoyl]oxyethanesulfonic acid
CID 129070614
2-(cyclononanecarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 129070762
1,1-difluoro-2-tridecanoyloxyethanesulfonic acid
CID 129070493
1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]ethanesulfonic acid
CID 129070340
3,3,3-trifluoro-2-[9-[methoxy(dimethyl)silyl]nonanoyloxy]-2-(trifluoromethyl)propane-1-sulfonic acid
CID 153308380
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxy-1,1-difluoroethanesulfonic acid
CID 89310069
1-O-[3-(5-methoxy-5-oxopentanoyl)oxy-2,2-bis[(5-methoxy-5-oxopentanoyl)oxymethyl]propyl] 5-O-methyl 2-methylpentanedioate
CID 59340010

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid?
The IUPAC name of 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid (CID 153308388) is 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid.
What is the SMILES notation for 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid?
The canonical SMILES for 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid is CO[Si](C)(C)CCC(C)C(=O)OCC(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid?
The InChIKey is YPVXQJRVCJAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O6SSi/c1-8(5-6-20(3,4)17-2)9(13)18-7-10(11,12)19(14,15)16/h8H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid?
1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid has a molecular weight of 334.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]-2-methylbutanoyl]oxyethanesulfonic acid is sourced from PubChem (CID 153308388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).